General Information of the Compound
| Compound ID |
CP0560903
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| Compound Name |
US9315518, 18-200
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| Structure |
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| Formula |
C23H32N6O2S
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| Molecular Weight |
456.616
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)c1cnsn1
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| InChI |
InChI=1S/C23H32N6O2S/c1-22(2,3)13-29-17-8-7-15(25-19(17)28(6)21(29)31)14-9-10-23(4,5)18(11-14)26-20(30)16-12-24-32-27-16/h7-8,12,14,18H,9-11,13H2,1-6H3,(H,26,30)
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| InChIKey |
LGRLTPDQTZIRIY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound